CAS RN: 1260160-79-9
4-Nitro-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-Pyrazole
- Product code: SSC-031540
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1260160-79-9 / trimethyl-[2-[(4-nitropyrazol-1-yl)methoxy]ethyl]silane
Basic Information
CAS
1260160-79-9
Multi CAS
No
Molecular Formula
C9H17N3O3Si
Molecular Weight
243.330000
Exact Mass
243.103918
SMILES
C[Si](C)(C)CCOCN1C=C(C=N1)[N+](=O)[O-]
InChI
InChI=1S/C9H17N3O3Si/c1-16(2,3)5-4-15-8-11-7-9(6-10-11)12(13)14/h6-7H,4-5,8H2,1-3H3
InChIKey
UEUZRTVOLSCNIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
62.99
TPSA
70.19
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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